UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40767811
40767811
4931959
4931959

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]furo[3,2-b]pyrrole-5-carboxamide 4-methyl-N-[2-(4-methylpiperazin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.02 2.28 -11.62 1 7 0 71 304.35 3 ↓
Mid Mid (pH 6-8) 0.02 4.63 -49.04 2 7 1 72 305.358 3 ↓

Analogs

4931959
4931959
40767809
40767809

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide N-[2-(4-ethylpiperazin-1-yl)-2-o…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.40 3.1 -11.43 1 7 0 71 318.377 4 ↓
Mid Mid (pH 6-8) 0.40 5.31 -47.75 2 7 1 72 319.385 4 ↓

Analogs

4490229
4490229

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.47 4.48 -15.24 1 9 0 97 362.386 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]furo[3,2-b]pyrrole-5-carboxamide 4-methyl-N-[2-(4-methylsulfonylp…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.60 1.3 -19.17 1 9 0 105 368.415 4 ↓

Parameters Provided:

ring.id = 516985
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 516985 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=516985&filter.purchasability=annotated

Embed Link to Results